Geometry & MOs

Info

ID:	28244
PubChem CID:	826502
Reduced:	NOSC13H13 (1)
Stoich.:	ABCD13E13 (1)
Weight, g/mol:	347.109233
ΔH_f, kcal/mol:	3.12
Dipole, Da:	3.32
IP(EA), eV:	-8.62(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[benzyl(phenyl)carbamothioyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN)SC2=CC=C(C=C2)O

DOS

IR

Vibrations